Azaspiracid-6

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Systematic / IUPAC Name:

ID: Reference8294

Other Names:

Formula: C47H71NO12

Class: Natural Toxins

Spectral Data

Azaspiracid-6 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 1285
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/5/2018 8:29:02 AM
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Identificators

InChI InChI=1S/C47H71NO12/c1-26-17-33(10-8-9-11-39(49)50)54-43(21-26)14-15-47(60-43)32(7)19-34-35(57-47)20-37(53-34)42(51)46(52)13-12-29(4)40(59-46)30(5)23-44-22-27(2)18-36(55-44)41-38(56-44)24-45(58-41)31(6)16-28(3)25-48-45/h8,10,17,27-29,31-38,40-42,48,51-52H,5,9,11-16,18-25H2,1-4,6-7H3,(H,49,50)/b10-8+/t27-,28+,29-,31-,32+,33+,34+,35?,36+,37-,38+,40-,41+,42+,43+,44-,45-,46+,47+/m0/s1
InChI Key NQIYMIINGTZTOC-MFHCLEFTSA-N
Canonical SMILES OC(=O)CC/C=C/[C@@H]1C=C(C[C@@]2(O1)CC[C@@]1(O2)[C@@H](C[C@@H]2C(O1)C[C@H](O2)[C@H]([C@@]1(O[C@@H]([C@H](CC1)C)C(=C)C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@@]3(NC[C@H](C)C[C@@H]3C)C[C@H]1O2)O)O)C)C
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In Other Databases

Wikipedia Azaspiracid